Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM11046
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
Ki
71±n/a nM
Citation
De Simone, G; Vitale, RM; Di Fiore, A; Pedone, C; Scozzafava, A; Montero, JL; Winum, JY; Supuran, CT Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX. J Med Chem 49:5544-51 (2006) [PubMed] Article
More Info.:
Target
Name:
Carbonic anhydrase 2
Synonyms:
CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II)
Type:
Enzyme
Mol. Mass.:
29250.71
Organism:
Homo sapiens (Human)
Description:
P00918
Residue:
260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Inhibitor
Name:
BDBM11046
Synonyms:
N-[2-(4-sulfamoylphenyl)ethyl]-3-[(2-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl)disulfanyl]propanamide | N-{2-[4-(aminosulfonyl)phenyl]ethyl}-4-{[3-({2-[4-(aminosulfonyl)phenyl]ethyl}amino)-3-oxopropyl]dithio}butanamide | disulfide-containing sulfonamide 2d
Type:
Small organic molecule
Emp. Form.:
C22H30N4O6S4
Mol. Mass.:
574.757
SMILES:
NS(=O)(=O)c1ccc(CCNC(=O)CCSSCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1